Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:
Magnetic atoms:
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 0.00000 | -4.57000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.75000 | -mx,my,-mz | 0.00000 | -4.57000 | 0.00000 |
3 | 0.00000 | 0.25000 | 0.25000 | mx,my,mz | 0.00000 | -4.57000 | 0.00000 |
4 | 0.50000 | 0.75000 | 0.50000 | -mx,my,-mz | 0.00000 | -4.57000 | 0.00000 |
5 | 0.50000 | 0.25000 | 0.50000 | mx,my,-mz | 0.00000 | -4.57000 | 0.00000 |
6 | 0.00000 | 0.75000 | 0.25000 | -mx,my,mz | 0.00000 | -4.57000 | 0.00000 |
7 | 0.50000 | 0.00000 | 0.75000 | mx,my,-mz | 0.00000 | -4.57000 | 0.00000 |
8 | 0.00000 | 0.50000 | 0.00000 | -mx,my,mz | 0.00000 | -4.57000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.12500 | 0.62500 | 0,my,mz | 0.00000 | 1.38000 | 3.23000 |
2 | 0.50000 | 0.62500 | 0.12500 | 0,my,-mz | 0.00000 | 1.38000 | -3.23000 |
3 | 0.50000 | 0.12500 | 0.12500 | 0,my,-mz | 0.00000 | 1.38000 | -3.23000 |
4 | 0.00000 | 0.62500 | 0.62500 | 0,my,mz | 0.00000 | 1.38000 | 3.23000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.37500 | 0.62500 | mx,my,mz | 0.00000 | 1.38000 | -3.23000 |
2 | 0.50000 | 0.87500 | 0.12500 | -mx,my,-mz | 0.00000 | 1.38000 | 3.23000 |
3 | 0.00000 | 0.87500 | 0.62500 | mx,my,mz | 0.00000 | 1.38000 | -3.23000 |
4 | 0.50000 | 0.37500 | 0.12500 | -mx,my,-mz | 0.00000 | 1.38000 | 3.23000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.00000 | 0.37500 | mx,my,mz | 0.00000 | 1.30000 | 2.85000 |
2 | 0.25000 | 0.50000 | 0.37500 | -mx,my,-mz | 0.00000 | 1.30000 | -2.85000 |
3 | 0.75000 | 0.25000 | 0.87500 | mx,my,mz | 0.00000 | 1.30000 | 2.85000 |
4 | 0.75000 | 0.75000 | 0.87500 | -mx,my,-mz | 0.00000 | 1.30000 | -2.85000 |
5 | 0.25000 | 0.25000 | 0.87500 | mx,my,-mz | 0.00000 | 1.30000 | -2.85000 |
6 | 0.25000 | 0.75000 | 0.87500 | -mx,my,mz | 0.00000 | 1.30000 | 2.85000 |
7 | 0.75000 | 0.00000 | 0.37500 | mx,my,-mz | 0.00000 | 1.30000 | -2.85000 |
8 | 0.75000 | 0.50000 | 0.37500 | -mx,my,mz | 0.00000 | 1.30000 | 2.85000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.11350 | 0.38300 |
2 | 0.50000 | 0.61350 | 0.36700 |
3 | 0.00000 | 0.13650 | 0.86700 |
4 | 0.50000 | 0.63650 | 0.88300 |
5 | 0.50000 | 0.13650 | 0.88300 |
6 | 0.00000 | 0.63650 | 0.86700 |
7 | 0.50000 | 0.11350 | 0.36700 |
8 | 0.00000 | 0.61350 | 0.38300 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.77300 | 0.25000 | 0.63300 |
2 | 0.72700 | 0.75000 | 0.11700 |
3 | 0.22700 | 0.00000 | 0.61700 |
4 | 0.27300 | 0.50000 | 0.13300 |
5 | 0.72700 | 0.00000 | 0.13300 |
6 | 0.77300 | 0.50000 | 0.61700 |
7 | 0.27300 | 0.25000 | 0.11700 |
8 | 0.22700 | 0.75000 | 0.63300 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.72700 | 0.25000 | 0.11700 |
2 | 0.77300 | 0.75000 | 0.63300 |
3 | 0.27300 | 0.00000 | 0.13300 |
4 | 0.22700 | 0.50000 | 0.61700 |
5 | 0.77300 | 0.00000 | 0.61700 |
6 | 0.72700 | 0.50000 | 0.13300 |
7 | 0.22700 | 0.25000 | 0.63300 |
8 | 0.27300 | 0.75000 | 0.11700 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.50000 | 0.36350 | 0.88300 |
2 | 0.00000 | 0.86350 | 0.86700 |
3 | 0.50000 | 0.88650 | 0.36700 |
4 | 0.00000 | 0.38650 | 0.38300 |
5 | 0.00000 | 0.88650 | 0.38300 |
6 | 0.50000 | 0.38650 | 0.36700 |
7 | 0.00000 | 0.36350 | 0.86700 |
8 | 0.50000 | 0.86350 | 0.88300 |
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